[3-[[[(2S)-butan-2-yl]-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-methoxybenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[[(1S)-1-methylpropyl]-p-anisoyl-amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO5S/c1-5-16(3)22(21(23)18-10-12-19(26-4)13-11-18)15-17-8-7-9-20(14-17)27-28(24,25)6-2/h7-14,16H,5-6,15H2,1-4H3/t16-/m0/s1